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19234-66-3 | β-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-
CAS No: 19234-66-3 Catalog No: AG002FVN MDL No:MFCD01318025
Product Description
Catalog Number:
AG002FVN
Chemical Name:
β-D-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)-1-deoxy-2,3-O-(1-methylethylidene)-
CAS Number:
19234-66-3
Molecular Formula:
C13H15N5O5
Molecular Weight:
321.2887
MDL Number:
MFCD01318025
IUPAC Name:
4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
InChI:
InChI=1S/C13H15N5O5/c1-13(2)22-6-7(23-13)11(21-8(6)12(19)20)18-4-17-5-9(14)15-3-16-10(5)18/h3-4,6-8,11H,1-2H3,(H,19,20)(H2,14,15,16)
InChI Key:
RRTBBKSJPNRFCG-UHFFFAOYSA-N
SMILES:
OC(=O)C1OC(C2C1OC(O2)(C)C)n1cnc2c1ncnc2N
NSC Number:
143678
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.293g/mol
Monoisotopic Mass:
321.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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